Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-118651
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Na', 'Al', 'Se']
  • Chemical System: Al-Na-Se
  • Density: 3.084734040652728
  • Atomic Density: 0.043224650967669996
  • Unit Cell Volume: 69.40484035935556
  • Molar Volume: 13.932190602312271
  • Full Formula: Na1 Al1 Se1
  • Reduced Formula: NaAlSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2